SCHEMBL4836644

SCHEMBL4836644

N[C@@H](CCN1CCC2(CC1)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C2=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
OPRL1 P41146 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CCR5 P51681 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4835344 0.99 TACR1 (0.48) TACR1SMN1; SMN2KMT2AHTTPOLB
SCHEMBL4830947 0.89 ALDH1A1 (0.55) TACR1SMN1; SMN2KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4836884 0.88 ALDH1A1 (0.54) TACR1SMN1; SMN2KMT2AALDH1A1MAPK1
SCHEMBL4838738 0.88 KMT2A (0.49) SMN1; SMN2KMT2AOPRL1ALDH1A1MAPK1
SCHEMBL4831023 0.88 LIPE (0.45) TACR1KMT2AALDH1A1TSHRCCR5
Hydrochloric Acid SCHEMBL4831009 0.87 KMT2A (0.48) TACR1SMN1; SMN2KMT2AOPRL1ALDH1A1
SCHEMBL4836256 0.87 KMT2A (0.48) TACR1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL4831071 0.87 KMT2A (0.48) TACR1SMN1; SMN2KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL4833360 0.87 LIPE (0.45) TACR1KMT2AALDH1A1TSHRCCR5
Hydrochloric Acid SCHEMBL4827786 0.86 KMT2A (0.47) TACR1SMN1; SMN2KMT2AALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US claimed
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-04-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 TACR1 39/4885SMN1; SMN2 4745/4885KMT2A 4243/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.